USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -149:sc= 0.032 (180deg=0) USER MOD Single : A 2 SER OG : rot 10:sc= 0.606 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0607 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 52:sc= 0.265 USER MOD Single : A 23 GLN : amide:sc= -2.57! K(o=-2.6!,f=-3.1) USER MOD Single : A 26 GLN : amide:sc= -0.0188 K(o=-0.019,f=-0.91) USER MOD Single : A 27 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.1) USER MOD Single : A 31 THR OG1 : rot 92:sc= 1.12 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.352 X(o=-0.35,f=-0.16) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -7.53! C(o=-7.5!,f=-8.3!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.61) USER MOD Single : A 59 THR OG1 : rot 180:sc=-0.00973 USER MOD Single : A 64 ASN : amide:sc= 0.0608 X(o=0.061,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 174:sc= -0.306 (180deg=-0.345) USER MOD Single : A 70 MET CE :methyl -114:sc= -1.98 (180deg=-7.82!) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= -0.146 (180deg=-0.77) USER MOD Single : A 74 GLN : amide:sc= -2.31 K(o=-2.3,f=-4.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 31:sc= 0.207 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.280 -36.260 16.984 1.00 0.00 N ATOM 2 CA GLY A 1 -25.007 -35.595 17.197 1.00 0.00 C ATOM 3 C GLY A 1 -24.808 -34.414 16.268 1.00 0.00 C ATOM 4 O GLY A 1 -25.776 -33.815 15.798 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.615 -36.664 17.882 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.976 -35.572 16.633 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.162 -37.021 16.285 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.947 -35.254 18.231 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.198 -36.310 17.049 1.00 0.00 H new ATOM 8 N SER A 2 -23.550 -34.076 16.004 1.00 0.00 N ATOM 9 CA SER A 2 -23.227 -32.954 15.130 1.00 0.00 C ATOM 10 C SER A 2 -21.779 -33.034 14.656 1.00 0.00 C ATOM 11 O SER A 2 -20.850 -33.042 15.463 1.00 0.00 O ATOM 12 CB SER A 2 -23.466 -31.629 15.856 1.00 0.00 C ATOM 13 OG SER A 2 -22.482 -31.409 16.852 1.00 0.00 O ATOM 0 H SER A 2 -22.738 -34.563 16.383 1.00 0.00 H new ATOM 0 HA SER A 2 -23.880 -33.005 14.258 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.451 -30.809 15.138 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.456 -31.634 16.313 1.00 0.00 H new ATOM 0 HG SER A 2 -21.767 -32.073 16.758 1.00 0.00 H new ATOM 19 N SER A 3 -21.596 -33.094 13.341 1.00 0.00 N ATOM 20 CA SER A 3 -20.262 -33.177 12.758 1.00 0.00 C ATOM 21 C SER A 3 -19.625 -31.794 12.659 1.00 0.00 C ATOM 22 O SER A 3 -18.455 -31.612 12.992 1.00 0.00 O ATOM 23 CB SER A 3 -20.327 -33.822 11.372 1.00 0.00 C ATOM 24 OG SER A 3 -21.047 -33.006 10.464 1.00 0.00 O ATOM 0 H SER A 3 -22.355 -33.087 12.659 1.00 0.00 H new ATOM 0 HA SER A 3 -19.645 -33.796 13.410 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.317 -33.987 10.996 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.804 -34.800 11.444 1.00 0.00 H new ATOM 0 HG SER A 3 -21.073 -33.439 9.585 1.00 0.00 H new ATOM 30 N GLY A 4 -20.406 -30.822 12.197 1.00 0.00 N ATOM 31 CA GLY A 4 -19.902 -29.468 12.061 1.00 0.00 C ATOM 32 C GLY A 4 -19.700 -29.066 10.613 1.00 0.00 C ATOM 33 O GLY A 4 -20.296 -29.654 9.711 1.00 0.00 O ATOM 0 H GLY A 4 -21.378 -30.948 11.915 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.599 -28.775 12.533 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.955 -29.381 12.594 1.00 0.00 H new ATOM 37 N SER A 5 -18.858 -28.062 10.391 1.00 0.00 N ATOM 38 CA SER A 5 -18.584 -27.579 9.043 1.00 0.00 C ATOM 39 C SER A 5 -17.084 -27.573 8.763 1.00 0.00 C ATOM 40 O SER A 5 -16.272 -27.410 9.674 1.00 0.00 O ATOM 41 CB SER A 5 -19.155 -26.172 8.856 1.00 0.00 C ATOM 42 OG SER A 5 -19.148 -25.796 7.490 1.00 0.00 O ATOM 0 H SER A 5 -18.354 -27.567 11.127 1.00 0.00 H new ATOM 0 HA SER A 5 -19.066 -28.255 8.337 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.174 -26.136 9.241 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.569 -25.459 9.436 1.00 0.00 H new ATOM 0 HG SER A 5 -19.519 -24.894 7.397 1.00 0.00 H new ATOM 48 N SER A 6 -16.724 -27.751 7.496 1.00 0.00 N ATOM 49 CA SER A 6 -15.322 -27.770 7.095 1.00 0.00 C ATOM 50 C SER A 6 -15.032 -26.668 6.081 1.00 0.00 C ATOM 51 O SER A 6 -15.948 -26.086 5.501 1.00 0.00 O ATOM 52 CB SER A 6 -14.957 -29.133 6.502 1.00 0.00 C ATOM 53 OG SER A 6 -13.564 -29.372 6.594 1.00 0.00 O ATOM 0 H SER A 6 -17.384 -27.884 6.730 1.00 0.00 H new ATOM 0 HA SER A 6 -14.714 -27.593 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.500 -29.919 7.028 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.268 -29.174 5.458 1.00 0.00 H new ATOM 0 HG SER A 6 -13.357 -30.250 6.210 1.00 0.00 H new ATOM 59 N GLY A 7 -13.749 -26.387 5.872 1.00 0.00 N ATOM 60 CA GLY A 7 -13.360 -25.355 4.928 1.00 0.00 C ATOM 61 C GLY A 7 -12.277 -25.820 3.975 1.00 0.00 C ATOM 62 O GLY A 7 -12.568 -26.301 2.881 1.00 0.00 O ATOM 0 H GLY A 7 -12.973 -26.855 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.233 -25.042 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.007 -24.481 5.475 1.00 0.00 H new ATOM 66 N GLY A 8 -11.023 -25.676 4.391 1.00 0.00 N ATOM 67 CA GLY A 8 -9.911 -26.088 3.554 1.00 0.00 C ATOM 68 C GLY A 8 -8.612 -25.409 3.940 1.00 0.00 C ATOM 69 O GLY A 8 -8.406 -25.063 5.103 1.00 0.00 O ATOM 0 H GLY A 8 -10.757 -25.281 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.788 -27.169 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.140 -25.861 2.513 1.00 0.00 H new ATOM 73 N SER A 9 -7.732 -25.218 2.962 1.00 0.00 N ATOM 74 CA SER A 9 -6.443 -24.582 3.206 1.00 0.00 C ATOM 75 C SER A 9 -6.576 -23.062 3.184 1.00 0.00 C ATOM 76 O SER A 9 -6.272 -22.417 2.181 1.00 0.00 O ATOM 77 CB SER A 9 -5.422 -25.031 2.159 1.00 0.00 C ATOM 78 OG SER A 9 -5.934 -24.874 0.847 1.00 0.00 O ATOM 0 H SER A 9 -7.889 -25.495 1.993 1.00 0.00 H new ATOM 0 HA SER A 9 -6.096 -24.886 4.194 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.506 -24.450 2.267 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.159 -26.075 2.328 1.00 0.00 H new ATOM 0 HG SER A 9 -6.274 -23.962 0.736 1.00 0.00 H new ATOM 84 N GLU A 10 -7.031 -22.498 4.298 1.00 0.00 N ATOM 85 CA GLU A 10 -7.205 -21.054 4.407 1.00 0.00 C ATOM 86 C GLU A 10 -5.871 -20.364 4.677 1.00 0.00 C ATOM 87 O GLU A 10 -5.449 -20.235 5.826 1.00 0.00 O ATOM 88 CB GLU A 10 -8.199 -20.720 5.521 1.00 0.00 C ATOM 89 CG GLU A 10 -9.621 -21.163 5.221 1.00 0.00 C ATOM 90 CD GLU A 10 -10.653 -20.402 6.031 1.00 0.00 C ATOM 91 OE1 GLU A 10 -10.845 -19.197 5.765 1.00 0.00 O ATOM 92 OE2 GLU A 10 -11.268 -21.012 6.930 1.00 0.00 O ATOM 0 H GLU A 10 -7.286 -23.018 5.137 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.598 -20.689 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.868 -21.193 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.191 -19.644 5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.824 -21.025 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.717 -22.229 5.428 1.00 0.00 H new ATOM 99 N GLU A 11 -5.212 -19.924 3.609 1.00 0.00 N ATOM 100 CA GLU A 11 -3.925 -19.249 3.732 1.00 0.00 C ATOM 101 C GLU A 11 -4.050 -17.771 3.375 1.00 0.00 C ATOM 102 O GLU A 11 -3.868 -17.383 2.222 1.00 0.00 O ATOM 103 CB GLU A 11 -2.886 -19.917 2.828 1.00 0.00 C ATOM 104 CG GLU A 11 -1.460 -19.476 3.111 1.00 0.00 C ATOM 105 CD GLU A 11 -0.540 -19.679 1.923 1.00 0.00 C ATOM 106 OE1 GLU A 11 -0.056 -20.814 1.733 1.00 0.00 O ATOM 107 OE2 GLU A 11 -0.304 -18.701 1.182 1.00 0.00 O ATOM 0 H GLU A 11 -5.547 -20.023 2.651 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.599 -19.328 4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.954 -20.998 2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.126 -19.696 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.458 -18.423 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.074 -20.034 3.964 1.00 0.00 H new ATOM 114 N GLU A 12 -4.362 -16.951 4.374 1.00 0.00 N ATOM 115 CA GLU A 12 -4.512 -15.516 4.166 1.00 0.00 C ATOM 116 C GLU A 12 -3.595 -14.731 5.099 1.00 0.00 C ATOM 117 O GLU A 12 -4.033 -14.219 6.129 1.00 0.00 O ATOM 118 CB GLU A 12 -5.966 -15.096 4.390 1.00 0.00 C ATOM 119 CG GLU A 12 -6.841 -15.250 3.157 1.00 0.00 C ATOM 120 CD GLU A 12 -6.883 -16.678 2.646 1.00 0.00 C ATOM 121 OE1 GLU A 12 -6.759 -17.606 3.472 1.00 0.00 O ATOM 122 OE2 GLU A 12 -7.038 -16.866 1.422 1.00 0.00 O ATOM 0 H GLU A 12 -4.516 -17.256 5.335 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.230 -15.293 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.387 -15.691 5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.989 -14.055 4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.854 -14.922 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.469 -14.596 2.368 1.00 0.00 H new ATOM 129 N GLU A 13 -2.321 -14.643 4.731 1.00 0.00 N ATOM 130 CA GLU A 13 -1.342 -13.923 5.536 1.00 0.00 C ATOM 131 C GLU A 13 -1.604 -12.420 5.495 1.00 0.00 C ATOM 132 O GLU A 13 -1.457 -11.726 6.501 1.00 0.00 O ATOM 133 CB GLU A 13 0.076 -14.218 5.040 1.00 0.00 C ATOM 134 CG GLU A 13 1.144 -13.371 5.711 1.00 0.00 C ATOM 135 CD GLU A 13 1.199 -13.583 7.212 1.00 0.00 C ATOM 136 OE1 GLU A 13 1.234 -14.753 7.645 1.00 0.00 O ATOM 137 OE2 GLU A 13 1.208 -12.577 7.953 1.00 0.00 O ATOM 0 H GLU A 13 -1.943 -15.061 3.881 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.437 -14.263 6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.300 -15.271 5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.117 -14.053 3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.116 -13.609 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.951 -12.318 5.503 1.00 0.00 H new ATOM 144 N ILE A 14 -1.992 -11.925 4.324 1.00 0.00 N ATOM 145 CA ILE A 14 -2.275 -10.505 4.152 1.00 0.00 C ATOM 146 C ILE A 14 -2.909 -9.915 5.407 1.00 0.00 C ATOM 147 O ILE A 14 -3.790 -10.511 6.027 1.00 0.00 O ATOM 148 CB ILE A 14 -3.210 -10.259 2.953 1.00 0.00 C ATOM 149 CG1 ILE A 14 -2.555 -10.746 1.659 1.00 0.00 C ATOM 150 CG2 ILE A 14 -3.564 -8.783 2.852 1.00 0.00 C ATOM 151 CD1 ILE A 14 -3.500 -10.779 0.479 1.00 0.00 C ATOM 0 H ILE A 14 -2.117 -12.486 3.481 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.321 -10.013 3.965 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.130 -10.823 3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.712 -10.097 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.152 -11.746 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.225 -8.625 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.067 -8.466 3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.654 -8.199 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.968 -11.134 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.330 -11.451 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.884 -9.776 0.292 1.00 0.00 H new ATOM 163 N PRO A 15 -2.453 -8.713 5.791 1.00 0.00 N ATOM 164 CA PRO A 15 -2.963 -8.014 6.973 1.00 0.00 C ATOM 165 C PRO A 15 -4.393 -7.519 6.783 1.00 0.00 C ATOM 166 O PRO A 15 -4.867 -7.381 5.655 1.00 0.00 O ATOM 167 CB PRO A 15 -2.004 -6.831 7.127 1.00 0.00 C ATOM 168 CG PRO A 15 -1.472 -6.594 5.756 1.00 0.00 C ATOM 169 CD PRO A 15 -1.404 -7.945 5.099 1.00 0.00 C ATOM 0 HA PRO A 15 -3.002 -8.666 7.846 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.520 -5.950 7.509 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.202 -7.060 7.829 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.121 -5.920 5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.487 -6.129 5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.593 -7.881 4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.423 -8.403 5.222 1.00 0.00 H new ATOM 177 N PHE A 16 -5.075 -7.253 7.892 1.00 0.00 N ATOM 178 CA PHE A 16 -6.452 -6.774 7.846 1.00 0.00 C ATOM 179 C PHE A 16 -6.535 -5.316 8.287 1.00 0.00 C ATOM 180 O PHE A 16 -7.312 -4.534 7.739 1.00 0.00 O ATOM 181 CB PHE A 16 -7.345 -7.640 8.737 1.00 0.00 C ATOM 182 CG PHE A 16 -7.920 -8.833 8.030 1.00 0.00 C ATOM 183 CD1 PHE A 16 -7.090 -9.799 7.484 1.00 0.00 C ATOM 184 CD2 PHE A 16 -9.292 -8.990 7.910 1.00 0.00 C ATOM 185 CE1 PHE A 16 -7.617 -10.898 6.832 1.00 0.00 C ATOM 186 CE2 PHE A 16 -9.825 -10.087 7.260 1.00 0.00 C ATOM 187 CZ PHE A 16 -8.986 -11.043 6.721 1.00 0.00 C ATOM 0 H PHE A 16 -4.697 -7.361 8.833 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.801 -6.844 6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.767 -7.981 9.596 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.161 -7.029 9.124 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.019 -9.692 7.569 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.953 -8.246 8.330 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.959 -11.643 6.410 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.896 -10.197 7.174 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.400 -11.902 6.214 1.00 0.00 H new ATOM 197 N ARG A 17 -5.729 -4.958 9.281 1.00 0.00 N ATOM 198 CA ARG A 17 -5.712 -3.594 9.798 1.00 0.00 C ATOM 199 C ARG A 17 -4.280 -3.095 9.969 1.00 0.00 C ATOM 200 O ARG A 17 -3.333 -3.882 9.965 1.00 0.00 O ATOM 201 CB ARG A 17 -6.451 -3.524 11.135 1.00 0.00 C ATOM 202 CG ARG A 17 -5.643 -4.057 12.307 1.00 0.00 C ATOM 203 CD ARG A 17 -6.156 -3.514 13.631 1.00 0.00 C ATOM 204 NE ARG A 17 -7.316 -4.258 14.115 1.00 0.00 N ATOM 205 CZ ARG A 17 -7.675 -4.309 15.393 1.00 0.00 C ATOM 206 NH1 ARG A 17 -6.968 -3.664 16.310 1.00 0.00 N ATOM 207 NH2 ARG A 17 -8.743 -5.008 15.756 1.00 0.00 N ATOM 0 H ARG A 17 -5.079 -5.593 9.745 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.218 -2.952 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.725 -2.488 11.335 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.379 -4.090 11.057 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.689 -5.146 12.317 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.595 -3.784 12.182 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.360 -3.560 14.374 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.422 -2.464 13.513 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.881 -4.766 13.435 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.146 -3.127 16.035 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.246 -3.705 17.290 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.289 -5.507 15.053 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.018 -5.047 16.738 1.00 0.00 H new ATOM 221 N CYS A 18 -4.130 -1.784 10.119 1.00 0.00 N ATOM 222 CA CYS A 18 -2.815 -1.179 10.290 1.00 0.00 C ATOM 223 C CYS A 18 -2.139 -1.695 11.557 1.00 0.00 C ATOM 224 O CYS A 18 -2.794 -2.249 12.441 1.00 0.00 O ATOM 225 CB CYS A 18 -2.935 0.346 10.348 1.00 0.00 C ATOM 226 SG CYS A 18 -1.368 1.202 10.708 1.00 0.00 S ATOM 0 H CYS A 18 -4.904 -1.119 10.126 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.201 -1.456 9.433 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.322 0.706 9.395 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.666 0.613 11.111 1.00 0.00 H new ATOM 231 N PHE A 19 -0.826 -1.510 11.638 1.00 0.00 N ATOM 232 CA PHE A 19 -0.061 -1.957 12.796 1.00 0.00 C ATOM 233 C PHE A 19 0.463 -0.767 13.595 1.00 0.00 C ATOM 234 O PHE A 19 0.601 -0.838 14.816 1.00 0.00 O ATOM 235 CB PHE A 19 1.106 -2.842 12.352 1.00 0.00 C ATOM 236 CG PHE A 19 1.668 -2.465 11.011 1.00 0.00 C ATOM 237 CD1 PHE A 19 1.024 -2.843 9.844 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.840 -1.732 10.918 1.00 0.00 C ATOM 239 CE1 PHE A 19 1.538 -2.498 8.609 1.00 0.00 C ATOM 240 CE2 PHE A 19 3.358 -1.383 9.685 1.00 0.00 C ATOM 241 CZ PHE A 19 2.707 -1.767 8.529 1.00 0.00 C ATOM 0 H PHE A 19 -0.269 -1.054 10.915 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.725 -2.537 13.437 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.899 -2.786 13.098 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.773 -3.879 12.319 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.109 -3.414 9.900 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.354 -1.430 11.818 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.026 -2.800 7.707 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.272 -0.810 9.626 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.111 -1.496 7.565 1.00 0.00 H new ATOM 251 N ILE A 20 0.754 0.324 12.895 1.00 0.00 N ATOM 252 CA ILE A 20 1.263 1.530 13.538 1.00 0.00 C ATOM 253 C ILE A 20 0.224 2.131 14.479 1.00 0.00 C ATOM 254 O ILE A 20 0.565 2.694 15.520 1.00 0.00 O ATOM 255 CB ILE A 20 1.674 2.591 12.500 1.00 0.00 C ATOM 256 CG1 ILE A 20 2.809 2.062 11.621 1.00 0.00 C ATOM 257 CG2 ILE A 20 2.091 3.878 13.196 1.00 0.00 C ATOM 258 CD1 ILE A 20 3.033 2.880 10.368 1.00 0.00 C ATOM 0 H ILE A 20 0.646 0.398 11.883 1.00 0.00 H new ATOM 0 HA ILE A 20 2.142 1.235 14.111 1.00 0.00 H new ATOM 0 HB ILE A 20 0.817 2.807 11.863 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.730 2.044 12.203 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.590 1.032 11.339 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.379 4.618 12.450 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.257 4.261 13.784 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.937 3.678 13.854 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.852 2.448 9.793 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.125 2.878 9.765 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.284 3.905 10.642 1.00 0.00 H new ATOM 270 N CYS A 21 -1.045 2.006 14.107 1.00 0.00 N ATOM 271 CA CYS A 21 -2.136 2.535 14.918 1.00 0.00 C ATOM 272 C CYS A 21 -3.078 1.418 15.358 1.00 0.00 C ATOM 273 O CYS A 21 -3.897 1.602 16.258 1.00 0.00 O ATOM 274 CB CYS A 21 -2.914 3.594 14.134 1.00 0.00 C ATOM 275 SG CYS A 21 -3.492 3.035 12.500 1.00 0.00 S ATOM 0 H CYS A 21 -1.344 1.543 13.249 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.705 2.994 15.808 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.775 3.908 14.724 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.281 4.471 14.003 1.00 0.00 H new ATOM 280 N ARG A 22 -2.955 0.261 14.716 1.00 0.00 N ATOM 281 CA ARG A 22 -3.796 -0.885 15.041 1.00 0.00 C ATOM 282 C ARG A 22 -5.261 -0.590 14.732 1.00 0.00 C ATOM 283 O ARG A 22 -6.159 -1.087 15.410 1.00 0.00 O ATOM 284 CB ARG A 22 -3.639 -1.258 16.516 1.00 0.00 C ATOM 285 CG ARG A 22 -2.213 -1.607 16.908 1.00 0.00 C ATOM 286 CD ARG A 22 -1.752 -2.896 16.245 1.00 0.00 C ATOM 287 NE ARG A 22 -0.339 -3.166 16.496 1.00 0.00 N ATOM 288 CZ ARG A 22 0.111 -3.774 17.588 1.00 0.00 C ATOM 289 NH1 ARG A 22 -0.738 -4.175 18.524 1.00 0.00 N ATOM 290 NH2 ARG A 22 1.412 -3.984 17.744 1.00 0.00 N ATOM 0 H ARG A 22 -2.282 0.092 13.968 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.475 -1.725 14.425 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.982 -0.426 17.131 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.286 -2.107 16.738 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.547 -0.792 16.624 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.147 -1.710 17.991 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.351 -3.728 16.615 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.924 -2.832 15.170 1.00 0.00 H new ATOM 0 HE ARG A 22 0.340 -2.871 15.794 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.739 -4.017 18.406 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.390 -4.642 19.362 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.068 -3.678 17.025 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.756 -4.451 18.583 1.00 0.00 H new ATOM 304 N GLN A 23 -5.492 0.222 13.706 1.00 0.00 N ATOM 305 CA GLN A 23 -6.847 0.585 13.310 1.00 0.00 C ATOM 306 C GLN A 23 -7.126 0.158 11.872 1.00 0.00 C ATOM 307 O GLN A 23 -6.228 -0.295 11.164 1.00 0.00 O ATOM 308 CB GLN A 23 -7.058 2.093 13.457 1.00 0.00 C ATOM 309 CG GLN A 23 -6.116 2.744 14.456 1.00 0.00 C ATOM 310 CD GLN A 23 -6.574 2.568 15.890 1.00 0.00 C ATOM 311 OE1 GLN A 23 -7.630 1.990 16.151 1.00 0.00 O ATOM 312 NE2 GLN A 23 -5.779 3.065 16.831 1.00 0.00 N ATOM 0 H GLN A 23 -4.759 0.641 13.134 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.543 0.063 13.967 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.926 2.566 12.484 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.087 2.279 13.765 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.120 2.317 14.342 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.034 3.808 14.233 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.913 3.536 16.570 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.035 2.975 17.814 1.00 0.00 H new ATOM 321 N ALA A 24 -8.378 0.306 11.449 1.00 0.00 N ATOM 322 CA ALA A 24 -8.774 -0.063 10.096 1.00 0.00 C ATOM 323 C ALA A 24 -7.891 0.622 9.059 1.00 0.00 C ATOM 324 O ALA A 24 -7.663 1.830 9.123 1.00 0.00 O ATOM 325 CB ALA A 24 -10.236 0.287 9.860 1.00 0.00 C ATOM 0 H ALA A 24 -9.134 0.678 12.024 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.647 -1.140 9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.518 0.006 8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.859 -0.253 10.573 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.379 1.359 9.993 1.00 0.00 H new ATOM 331 N PHE A 25 -7.394 -0.158 8.104 1.00 0.00 N ATOM 332 CA PHE A 25 -6.534 0.374 7.053 1.00 0.00 C ATOM 333 C PHE A 25 -7.202 1.548 6.345 1.00 0.00 C ATOM 334 O PHE A 25 -8.169 1.370 5.604 1.00 0.00 O ATOM 335 CB PHE A 25 -6.194 -0.721 6.040 1.00 0.00 C ATOM 336 CG PHE A 25 -4.952 -1.493 6.386 1.00 0.00 C ATOM 337 CD1 PHE A 25 -3.797 -0.834 6.777 1.00 0.00 C ATOM 338 CD2 PHE A 25 -4.940 -2.877 6.319 1.00 0.00 C ATOM 339 CE1 PHE A 25 -2.653 -1.541 7.095 1.00 0.00 C ATOM 340 CE2 PHE A 25 -3.799 -3.589 6.637 1.00 0.00 C ATOM 341 CZ PHE A 25 -2.654 -2.921 7.025 1.00 0.00 C ATOM 0 H PHE A 25 -7.572 -1.160 8.036 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.614 0.729 7.517 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.034 -1.412 5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.069 -0.269 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.791 0.244 6.834 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.832 -3.405 6.015 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.759 -1.016 7.398 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.803 -4.668 6.582 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.761 -3.476 7.273 1.00 0.00 H new ATOM 351 N GLN A 26 -6.680 2.748 6.578 1.00 0.00 N ATOM 352 CA GLN A 26 -7.227 3.951 5.964 1.00 0.00 C ATOM 353 C GLN A 26 -6.278 4.500 4.903 1.00 0.00 C ATOM 354 O GLN A 26 -5.210 5.019 5.221 1.00 0.00 O ATOM 355 CB GLN A 26 -7.493 5.017 7.028 1.00 0.00 C ATOM 356 CG GLN A 26 -8.777 4.790 7.809 1.00 0.00 C ATOM 357 CD GLN A 26 -8.753 5.448 9.175 1.00 0.00 C ATOM 358 OE1 GLN A 26 -7.914 6.307 9.448 1.00 0.00 O ATOM 359 NE2 GLN A 26 -9.677 5.049 10.041 1.00 0.00 N ATOM 0 H GLN A 26 -5.879 2.912 7.188 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.168 3.687 5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.654 5.041 7.723 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.538 5.995 6.548 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.619 5.179 7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.941 3.719 7.929 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.353 4.334 9.772 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.711 5.457 10.975 1.00 0.00 H new ATOM 368 N ASN A 27 -6.677 4.381 3.641 1.00 0.00 N ATOM 369 CA ASN A 27 -5.862 4.865 2.533 1.00 0.00 C ATOM 370 C ASN A 27 -4.467 4.247 2.573 1.00 0.00 C ATOM 371 O ASN A 27 -3.452 4.941 2.517 1.00 0.00 O ATOM 372 CB ASN A 27 -5.757 6.390 2.577 1.00 0.00 C ATOM 373 CG ASN A 27 -7.055 7.046 3.008 1.00 0.00 C ATOM 374 OD1 ASN A 27 -8.141 6.519 2.767 1.00 0.00 O ATOM 375 ND2 ASN A 27 -6.948 8.204 3.650 1.00 0.00 N ATOM 0 H ASN A 27 -7.560 3.954 3.360 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.346 4.568 1.603 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.962 6.677 3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.475 6.761 1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.787 8.692 3.964 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.027 8.605 3.829 1.00 0.00 H new ATOM 382 N PRO A 28 -4.415 2.910 2.673 1.00 0.00 N ATOM 383 CA PRO A 28 -3.151 2.169 2.723 1.00 0.00 C ATOM 384 C PRO A 28 -2.411 2.196 1.390 1.00 0.00 C ATOM 385 O PRO A 28 -3.029 2.226 0.326 1.00 0.00 O ATOM 386 CB PRO A 28 -3.590 0.742 3.062 1.00 0.00 C ATOM 387 CG PRO A 28 -4.992 0.650 2.568 1.00 0.00 C ATOM 388 CD PRO A 28 -5.586 2.020 2.746 1.00 0.00 C ATOM 0 HA PRO A 28 -2.455 2.598 3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.950 0.005 2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.535 0.555 4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.018 0.347 1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.555 -0.095 3.130 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.313 2.247 1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.103 2.113 3.701 1.00 0.00 H new ATOM 396 N VAL A 29 -1.083 2.186 1.455 1.00 0.00 N ATOM 397 CA VAL A 29 -0.258 2.208 0.253 1.00 0.00 C ATOM 398 C VAL A 29 0.796 1.108 0.291 1.00 0.00 C ATOM 399 O VAL A 29 1.368 0.816 1.341 1.00 0.00 O ATOM 400 CB VAL A 29 0.441 3.569 0.077 1.00 0.00 C ATOM 401 CG1 VAL A 29 -0.583 4.668 -0.163 1.00 0.00 C ATOM 402 CG2 VAL A 29 1.302 3.886 1.291 1.00 0.00 C ATOM 0 H VAL A 29 -0.556 2.163 2.328 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.925 2.039 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 29 1.091 3.514 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.071 5.622 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.153 4.444 -1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.261 4.726 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.789 4.851 1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.675 3.922 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.060 3.112 1.412 1.00 0.00 H new ATOM 412 N VAL A 30 1.050 0.499 -0.864 1.00 0.00 N ATOM 413 CA VAL A 30 2.038 -0.568 -0.964 1.00 0.00 C ATOM 414 C VAL A 30 3.427 -0.007 -1.248 1.00 0.00 C ATOM 415 O VAL A 30 3.599 0.845 -2.120 1.00 0.00 O ATOM 416 CB VAL A 30 1.667 -1.574 -2.069 1.00 0.00 C ATOM 417 CG1 VAL A 30 1.772 -0.924 -3.441 1.00 0.00 C ATOM 418 CG2 VAL A 30 2.553 -2.808 -1.986 1.00 0.00 C ATOM 0 H VAL A 30 0.585 0.727 -1.743 1.00 0.00 H new ATOM 0 HA VAL A 30 2.047 -1.082 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 30 0.633 -1.886 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.506 -1.650 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.091 -0.074 -3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.794 -0.581 -3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.277 -3.508 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.596 -2.516 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.422 -3.285 -1.015 1.00 0.00 H new ATOM 428 N THR A 31 4.418 -0.491 -0.506 1.00 0.00 N ATOM 429 CA THR A 31 5.793 -0.038 -0.677 1.00 0.00 C ATOM 430 C THR A 31 6.650 -1.117 -1.328 1.00 0.00 C ATOM 431 O THR A 31 6.177 -2.219 -1.603 1.00 0.00 O ATOM 432 CB THR A 31 6.425 0.361 0.670 1.00 0.00 C ATOM 433 OG1 THR A 31 6.090 -0.605 1.673 1.00 0.00 O ATOM 434 CG2 THR A 31 5.947 1.738 1.106 1.00 0.00 C ATOM 0 H THR A 31 4.294 -1.197 0.220 1.00 0.00 H new ATOM 0 HA THR A 31 5.759 0.836 -1.327 1.00 0.00 H new ATOM 0 HB THR A 31 7.507 0.393 0.543 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.786 -1.294 1.709 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.407 1.998 2.060 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.229 2.476 0.355 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.863 1.729 1.217 1.00 0.00 H new ATOM 442 N LYS A 32 7.916 -0.793 -1.572 1.00 0.00 N ATOM 443 CA LYS A 32 8.842 -1.735 -2.189 1.00 0.00 C ATOM 444 C LYS A 32 8.991 -2.990 -1.336 1.00 0.00 C ATOM 445 O LYS A 32 9.220 -4.083 -1.855 1.00 0.00 O ATOM 446 CB LYS A 32 10.209 -1.078 -2.393 1.00 0.00 C ATOM 447 CG LYS A 32 10.128 0.349 -2.905 1.00 0.00 C ATOM 448 CD LYS A 32 11.423 0.776 -3.576 1.00 0.00 C ATOM 449 CE LYS A 32 11.396 0.495 -5.071 1.00 0.00 C ATOM 450 NZ LYS A 32 12.755 0.210 -5.606 1.00 0.00 N ATOM 0 H LYS A 32 8.324 0.116 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 32 8.436 -2.023 -3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.751 -1.085 -1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.788 -1.675 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.304 0.436 -3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.908 1.022 -2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.587 1.840 -3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.261 0.248 -3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.742 -0.354 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.972 1.352 -5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.694 0.024 -6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.373 1.030 -5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.150 -0.623 -5.125 1.00 0.00 H new ATOM 464 N CYS A 33 8.859 -2.826 -0.023 1.00 0.00 N ATOM 465 CA CYS A 33 8.977 -3.946 0.903 1.00 0.00 C ATOM 466 C CYS A 33 7.694 -4.771 0.926 1.00 0.00 C ATOM 467 O CYS A 33 7.513 -5.632 1.788 1.00 0.00 O ATOM 468 CB CYS A 33 9.296 -3.438 2.311 1.00 0.00 C ATOM 469 SG CYS A 33 8.184 -2.119 2.894 1.00 0.00 S ATOM 0 H CYS A 33 8.670 -1.928 0.423 1.00 0.00 H new ATOM 0 HA CYS A 33 9.791 -4.584 0.561 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.246 -4.275 3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.321 -3.069 2.329 1.00 0.00 H new ATOM 474 N ARG A 34 6.808 -4.503 -0.027 1.00 0.00 N ATOM 475 CA ARG A 34 5.541 -5.220 -0.115 1.00 0.00 C ATOM 476 C ARG A 34 4.747 -5.083 1.180 1.00 0.00 C ATOM 477 O ARG A 34 4.154 -6.049 1.663 1.00 0.00 O ATOM 478 CB ARG A 34 5.788 -6.699 -0.421 1.00 0.00 C ATOM 479 CG ARG A 34 6.398 -6.944 -1.791 1.00 0.00 C ATOM 480 CD ARG A 34 5.330 -7.027 -2.870 1.00 0.00 C ATOM 481 NE ARG A 34 5.832 -7.653 -4.090 1.00 0.00 N ATOM 482 CZ ARG A 34 5.053 -8.258 -4.980 1.00 0.00 C ATOM 483 NH1 ARG A 34 3.743 -8.318 -4.787 1.00 0.00 N ATOM 484 NH2 ARG A 34 5.585 -8.805 -6.066 1.00 0.00 N ATOM 0 H ARG A 34 6.944 -3.795 -0.749 1.00 0.00 H new ATOM 0 HA ARG A 34 4.959 -4.780 -0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.448 -7.113 0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.843 -7.238 -0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.095 -6.141 -2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.972 -7.870 -1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.479 -7.595 -2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.968 -6.025 -3.099 1.00 0.00 H new ATOM 0 HE ARG A 34 6.836 -7.624 -4.269 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.331 -7.899 -3.953 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.147 -8.783 -5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.593 -8.761 -6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.986 -9.269 -6.749 1.00 0.00 H new ATOM 498 N HIS A 35 4.740 -3.877 1.740 1.00 0.00 N ATOM 499 CA HIS A 35 4.019 -3.614 2.980 1.00 0.00 C ATOM 500 C HIS A 35 2.974 -2.520 2.779 1.00 0.00 C ATOM 501 O HIS A 35 3.045 -1.748 1.822 1.00 0.00 O ATOM 502 CB HIS A 35 4.994 -3.206 4.085 1.00 0.00 C ATOM 503 CG HIS A 35 5.785 -4.352 4.638 1.00 0.00 C ATOM 504 ND1 HIS A 35 6.845 -4.186 5.504 1.00 0.00 N ATOM 505 CD2 HIS A 35 5.664 -5.686 4.444 1.00 0.00 C ATOM 506 CE1 HIS A 35 7.343 -5.369 5.818 1.00 0.00 C ATOM 507 NE2 HIS A 35 6.644 -6.296 5.189 1.00 0.00 N ATOM 0 H HIS A 35 5.225 -3.067 1.355 1.00 0.00 H new ATOM 0 HA HIS A 35 3.509 -4.531 3.276 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.681 -2.456 3.693 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.437 -2.735 4.895 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.933 -6.179 3.820 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.180 -5.547 6.477 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.805 -7.301 5.247 1.00 0.00 H new ATOM 515 N TYR A 36 2.005 -2.461 3.685 1.00 0.00 N ATOM 516 CA TYR A 36 0.944 -1.464 3.606 1.00 0.00 C ATOM 517 C TYR A 36 0.903 -0.610 4.869 1.00 0.00 C ATOM 518 O TYR A 36 1.131 -1.103 5.974 1.00 0.00 O ATOM 519 CB TYR A 36 -0.409 -2.145 3.392 1.00 0.00 C ATOM 520 CG TYR A 36 -0.341 -3.359 2.493 1.00 0.00 C ATOM 521 CD1 TYR A 36 -0.066 -3.228 1.137 1.00 0.00 C ATOM 522 CD2 TYR A 36 -0.553 -4.635 2.998 1.00 0.00 C ATOM 523 CE1 TYR A 36 -0.003 -4.334 0.312 1.00 0.00 C ATOM 524 CE2 TYR A 36 -0.491 -5.747 2.181 1.00 0.00 C ATOM 525 CZ TYR A 36 -0.216 -5.591 0.838 1.00 0.00 C ATOM 526 OH TYR A 36 -0.155 -6.696 0.020 1.00 0.00 O ATOM 0 H TYR A 36 1.932 -3.092 4.483 1.00 0.00 H new ATOM 0 HA TYR A 36 1.154 -0.813 2.757 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.814 -2.442 4.359 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.105 -1.424 2.963 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.101 -2.245 0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.770 -4.760 4.048 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.212 -4.215 -0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.657 -6.732 2.591 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.328 -7.504 0.548 1.00 0.00 H new ATOM 536 N PHE A 37 0.608 0.675 4.698 1.00 0.00 N ATOM 537 CA PHE A 37 0.537 1.599 5.823 1.00 0.00 C ATOM 538 C PHE A 37 -0.441 2.735 5.533 1.00 0.00 C ATOM 539 O PHE A 37 -0.559 3.192 4.395 1.00 0.00 O ATOM 540 CB PHE A 37 1.923 2.170 6.130 1.00 0.00 C ATOM 541 CG PHE A 37 3.039 1.192 5.898 1.00 0.00 C ATOM 542 CD1 PHE A 37 3.298 0.706 4.627 1.00 0.00 C ATOM 543 CD2 PHE A 37 3.829 0.759 6.951 1.00 0.00 C ATOM 544 CE1 PHE A 37 4.324 -0.194 4.409 1.00 0.00 C ATOM 545 CE2 PHE A 37 4.857 -0.140 6.739 1.00 0.00 C ATOM 546 CZ PHE A 37 5.104 -0.618 5.467 1.00 0.00 C ATOM 0 H PHE A 37 0.414 1.099 3.791 1.00 0.00 H new ATOM 0 HA PHE A 37 0.179 1.047 6.692 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.089 3.052 5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.949 2.500 7.169 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.691 1.034 3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.639 1.128 7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.515 -0.565 3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.467 -0.469 7.568 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.906 -1.322 5.300 1.00 0.00 H new ATOM 556 N CYS A 38 -1.139 3.185 6.569 1.00 0.00 N ATOM 557 CA CYS A 38 -2.107 4.266 6.428 1.00 0.00 C ATOM 558 C CYS A 38 -1.463 5.493 5.788 1.00 0.00 C ATOM 559 O CYS A 38 -0.429 5.974 6.250 1.00 0.00 O ATOM 560 CB CYS A 38 -2.693 4.637 7.792 1.00 0.00 C ATOM 561 SG CYS A 38 -3.313 3.214 8.746 1.00 0.00 S ATOM 0 H CYS A 38 -1.053 2.818 7.517 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.910 3.918 5.778 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.928 5.148 8.377 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.508 5.345 7.645 1.00 0.00 H new ATOM 566 N GLU A 39 -2.083 5.993 4.724 1.00 0.00 N ATOM 567 CA GLU A 39 -1.570 7.164 4.022 1.00 0.00 C ATOM 568 C GLU A 39 -0.979 8.172 5.003 1.00 0.00 C ATOM 569 O GLU A 39 -0.021 8.875 4.686 1.00 0.00 O ATOM 570 CB GLU A 39 -2.682 7.823 3.203 1.00 0.00 C ATOM 571 CG GLU A 39 -2.221 9.042 2.421 1.00 0.00 C ATOM 572 CD GLU A 39 -3.324 10.065 2.233 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.192 10.172 3.124 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.318 10.759 1.195 1.00 0.00 O ATOM 0 H GLU A 39 -2.940 5.606 4.329 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.779 6.834 3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.093 7.090 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.490 8.116 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.384 9.507 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.854 8.725 1.445 1.00 0.00 H new ATOM 581 N SER A 40 -1.560 8.236 6.197 1.00 0.00 N ATOM 582 CA SER A 40 -1.095 9.161 7.225 1.00 0.00 C ATOM 583 C SER A 40 0.113 8.591 7.962 1.00 0.00 C ATOM 584 O SER A 40 1.126 9.269 8.134 1.00 0.00 O ATOM 585 CB SER A 40 -2.219 9.459 8.219 1.00 0.00 C ATOM 586 OG SER A 40 -3.394 9.883 7.548 1.00 0.00 O ATOM 0 H SER A 40 -2.353 7.659 6.477 1.00 0.00 H new ATOM 0 HA SER A 40 -0.796 10.088 6.736 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.434 8.567 8.808 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.896 10.231 8.917 1.00 0.00 H new ATOM 0 HG SER A 40 -4.098 10.066 8.205 1.00 0.00 H new ATOM 592 N CYS A 41 -0.002 7.340 8.395 1.00 0.00 N ATOM 593 CA CYS A 41 1.078 6.677 9.115 1.00 0.00 C ATOM 594 C CYS A 41 2.359 6.668 8.285 1.00 0.00 C ATOM 595 O CYS A 41 3.451 6.886 8.808 1.00 0.00 O ATOM 596 CB CYS A 41 0.678 5.244 9.471 1.00 0.00 C ATOM 597 SG CYS A 41 -0.494 5.123 10.860 1.00 0.00 S ATOM 0 H CYS A 41 -0.833 6.765 8.259 1.00 0.00 H new ATOM 0 HA CYS A 41 1.264 7.234 10.034 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.235 4.773 8.594 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.576 4.678 9.717 1.00 0.00 H new ATOM 602 N ALA A 42 2.215 6.414 6.988 1.00 0.00 N ATOM 603 CA ALA A 42 3.359 6.378 6.086 1.00 0.00 C ATOM 604 C ALA A 42 4.038 7.741 6.006 1.00 0.00 C ATOM 605 O ALA A 42 5.266 7.836 6.021 1.00 0.00 O ATOM 606 CB ALA A 42 2.925 5.921 4.701 1.00 0.00 C ATOM 0 H ALA A 42 1.318 6.230 6.539 1.00 0.00 H new ATOM 0 HA ALA A 42 4.081 5.664 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.790 5.899 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.492 4.923 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.182 6.614 4.306 1.00 0.00 H new ATOM 612 N LEU A 43 3.233 8.794 5.921 1.00 0.00 N ATOM 613 CA LEU A 43 3.756 10.153 5.839 1.00 0.00 C ATOM 614 C LEU A 43 4.294 10.613 7.190 1.00 0.00 C ATOM 615 O LEU A 43 5.482 10.899 7.331 1.00 0.00 O ATOM 616 CB LEU A 43 2.666 11.112 5.358 1.00 0.00 C ATOM 617 CG LEU A 43 2.089 10.832 3.970 1.00 0.00 C ATOM 618 CD1 LEU A 43 0.807 11.620 3.755 1.00 0.00 C ATOM 619 CD2 LEU A 43 3.110 11.166 2.891 1.00 0.00 C ATOM 0 H LEU A 43 2.215 8.733 5.907 1.00 0.00 H new ATOM 0 HA LEU A 43 4.577 10.157 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.849 11.093 6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.072 12.124 5.363 1.00 0.00 H new ATOM 0 HG LEU A 43 1.853 9.770 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.412 11.408 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.073 11.332 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.016 12.686 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.683 10.961 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.377 12.221 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.002 10.556 3.033 1.00 0.00 H new ATOM 631 N GLU A 44 3.410 10.679 8.181 1.00 0.00 N ATOM 632 CA GLU A 44 3.798 11.102 9.522 1.00 0.00 C ATOM 633 C GLU A 44 5.084 10.408 9.961 1.00 0.00 C ATOM 634 O GLU A 44 6.032 11.057 10.405 1.00 0.00 O ATOM 635 CB GLU A 44 2.677 10.802 10.519 1.00 0.00 C ATOM 636 CG GLU A 44 1.512 11.774 10.436 1.00 0.00 C ATOM 637 CD GLU A 44 1.952 13.222 10.522 1.00 0.00 C ATOM 638 OE1 GLU A 44 2.445 13.753 9.504 1.00 0.00 O ATOM 639 OE2 GLU A 44 1.805 13.824 11.606 1.00 0.00 O ATOM 0 H GLU A 44 2.422 10.445 8.081 1.00 0.00 H new ATOM 0 HA GLU A 44 3.976 12.177 9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.309 9.791 10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.086 10.823 11.529 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.978 11.616 9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.810 11.563 11.243 1.00 0.00 H new ATOM 646 N HIS A 45 5.108 9.085 9.836 1.00 0.00 N ATOM 647 CA HIS A 45 6.277 8.302 10.219 1.00 0.00 C ATOM 648 C HIS A 45 7.485 8.674 9.364 1.00 0.00 C ATOM 649 O HIS A 45 8.590 8.851 9.876 1.00 0.00 O ATOM 650 CB HIS A 45 5.983 6.808 10.085 1.00 0.00 C ATOM 651 CG HIS A 45 6.892 5.943 10.902 1.00 0.00 C ATOM 652 ND1 HIS A 45 7.168 6.185 12.231 1.00 0.00 N ATOM 653 CD2 HIS A 45 7.589 4.830 10.572 1.00 0.00 C ATOM 654 CE1 HIS A 45 7.997 5.260 12.683 1.00 0.00 C ATOM 655 NE2 HIS A 45 8.267 4.425 11.695 1.00 0.00 N ATOM 0 H HIS A 45 4.331 8.533 9.472 1.00 0.00 H new ATOM 0 HA HIS A 45 6.508 8.527 11.260 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.952 6.621 10.384 1.00 0.00 H new ATOM 0 HB3 HIS A 45 6.068 6.522 9.037 1.00 0.00 H new ATOM 0 HD2 HIS A 45 7.608 4.350 9.605 1.00 0.00 H new ATOM 0 HE1 HIS A 45 8.387 5.197 13.688 1.00 0.00 H new ATOM 0 HE2 HIS A 45 8.880 3.612 11.757 1.00 0.00 H new ATOM 663 N PHE A 46 7.266 8.789 8.058 1.00 0.00 N ATOM 664 CA PHE A 46 8.336 9.137 7.131 1.00 0.00 C ATOM 665 C PHE A 46 9.120 10.345 7.635 1.00 0.00 C ATOM 666 O PHE A 46 10.350 10.369 7.577 1.00 0.00 O ATOM 667 CB PHE A 46 7.763 9.430 5.743 1.00 0.00 C ATOM 668 CG PHE A 46 8.760 10.037 4.798 1.00 0.00 C ATOM 669 CD1 PHE A 46 9.922 9.358 4.468 1.00 0.00 C ATOM 670 CD2 PHE A 46 8.536 11.285 4.241 1.00 0.00 C ATOM 671 CE1 PHE A 46 10.842 9.913 3.598 1.00 0.00 C ATOM 672 CE2 PHE A 46 9.452 11.845 3.370 1.00 0.00 C ATOM 673 CZ PHE A 46 10.607 11.158 3.049 1.00 0.00 C ATOM 0 H PHE A 46 6.357 8.646 7.618 1.00 0.00 H new ATOM 0 HA PHE A 46 9.015 8.287 7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.384 8.503 5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.913 10.105 5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.111 8.384 4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.636 11.827 4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.744 9.373 3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.265 12.818 2.941 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.325 11.594 2.370 1.00 0.00 H new ATOM 683 N ARG A 47 8.400 11.347 8.130 1.00 0.00 N ATOM 684 CA ARG A 47 9.027 12.559 8.643 1.00 0.00 C ATOM 685 C ARG A 47 10.110 12.221 9.663 1.00 0.00 C ATOM 686 O ARG A 47 11.276 12.572 9.485 1.00 0.00 O ATOM 687 CB ARG A 47 7.977 13.471 9.280 1.00 0.00 C ATOM 688 CG ARG A 47 7.212 14.315 8.274 1.00 0.00 C ATOM 689 CD ARG A 47 6.274 15.292 8.966 1.00 0.00 C ATOM 690 NE ARG A 47 6.962 16.512 9.379 1.00 0.00 N ATOM 691 CZ ARG A 47 7.041 17.603 8.625 1.00 0.00 C ATOM 692 NH1 ARG A 47 6.477 17.626 7.425 1.00 0.00 N ATOM 693 NH2 ARG A 47 7.685 18.674 9.071 1.00 0.00 N ATOM 0 H ARG A 47 7.382 11.343 8.186 1.00 0.00 H new ATOM 0 HA ARG A 47 9.491 13.080 7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.270 12.860 9.841 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.467 14.130 9.996 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.916 14.865 7.649 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.639 13.665 7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.456 15.548 8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.831 14.813 9.839 1.00 0.00 H new ATOM 0 HE ARG A 47 7.406 16.527 10.297 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.981 16.805 7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.539 18.465 6.848 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.120 18.660 9.993 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.745 19.511 8.491 1.00 0.00 H new ATOM 707 N ALA A 48 9.715 11.538 10.733 1.00 0.00 N ATOM 708 CA ALA A 48 10.652 11.152 11.781 1.00 0.00 C ATOM 709 C ALA A 48 11.671 10.143 11.261 1.00 0.00 C ATOM 710 O ALA A 48 12.879 10.371 11.335 1.00 0.00 O ATOM 711 CB ALA A 48 9.902 10.580 12.974 1.00 0.00 C ATOM 0 H ALA A 48 8.753 11.241 10.897 1.00 0.00 H new ATOM 0 HA ALA A 48 11.192 12.044 12.099 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.614 10.296 13.749 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.217 11.331 13.368 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.336 9.702 12.661 1.00 0.00 H new ATOM 717 N THR A 49 11.177 9.026 10.736 1.00 0.00 N ATOM 718 CA THR A 49 12.045 7.982 10.206 1.00 0.00 C ATOM 719 C THR A 49 11.816 7.783 8.712 1.00 0.00 C ATOM 720 O THR A 49 10.735 7.394 8.271 1.00 0.00 O ATOM 721 CB THR A 49 11.819 6.642 10.931 1.00 0.00 C ATOM 722 OG1 THR A 49 12.580 5.608 10.299 1.00 0.00 O ATOM 723 CG2 THR A 49 10.344 6.267 10.928 1.00 0.00 C ATOM 0 H THR A 49 10.180 8.821 10.667 1.00 0.00 H new ATOM 0 HA THR A 49 13.071 8.309 10.373 1.00 0.00 H new ATOM 0 HB THR A 49 12.147 6.754 11.964 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.432 4.760 10.767 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.209 5.317 11.446 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.771 7.042 11.436 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.995 6.173 9.900 1.00 0.00 H new ATOM 731 N PRO A 50 12.858 8.055 7.912 1.00 0.00 N ATOM 732 CA PRO A 50 12.795 7.911 6.454 1.00 0.00 C ATOM 733 C PRO A 50 12.715 6.452 6.018 1.00 0.00 C ATOM 734 O PRO A 50 12.701 6.151 4.825 1.00 0.00 O ATOM 735 CB PRO A 50 14.107 8.541 5.979 1.00 0.00 C ATOM 736 CG PRO A 50 15.033 8.406 7.138 1.00 0.00 C ATOM 737 CD PRO A 50 14.177 8.523 8.369 1.00 0.00 C ATOM 0 HA PRO A 50 11.905 8.381 6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.496 8.029 5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.967 9.586 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.552 7.448 7.113 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.797 9.183 7.119 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.560 7.910 9.185 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.135 9.549 8.734 1.00 0.00 H new ATOM 745 N ARG A 51 12.664 5.550 6.993 1.00 0.00 N ATOM 746 CA ARG A 51 12.587 4.122 6.709 1.00 0.00 C ATOM 747 C ARG A 51 11.227 3.561 7.113 1.00 0.00 C ATOM 748 O ARG A 51 10.370 4.285 7.621 1.00 0.00 O ATOM 749 CB ARG A 51 13.699 3.374 7.446 1.00 0.00 C ATOM 750 CG ARG A 51 15.088 3.933 7.183 1.00 0.00 C ATOM 751 CD ARG A 51 16.172 2.988 7.678 1.00 0.00 C ATOM 752 NE ARG A 51 17.455 3.666 7.842 1.00 0.00 N ATOM 753 CZ ARG A 51 18.291 3.909 6.839 1.00 0.00 C ATOM 754 NH1 ARG A 51 17.981 3.533 5.606 1.00 0.00 N ATOM 755 NH2 ARG A 51 19.441 4.531 7.068 1.00 0.00 N ATOM 0 H ARG A 51 12.675 5.783 7.986 1.00 0.00 H new ATOM 0 HA ARG A 51 12.714 3.982 5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.500 3.408 8.517 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.677 2.325 7.151 1.00 0.00 H new ATOM 0 HG2 ARG A 51 15.215 4.106 6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.192 4.899 7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.867 2.553 8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.285 2.164 6.973 1.00 0.00 H new ATOM 0 HE ARG A 51 17.724 3.970 8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 51 17.098 3.055 5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 51 18.625 3.721 4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 51 19.683 4.823 8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 51 20.082 4.717 6.297 1.00 0.00 H new ATOM 769 N CYS A 52 11.035 2.266 6.883 1.00 0.00 N ATOM 770 CA CYS A 52 9.780 1.606 7.222 1.00 0.00 C ATOM 771 C CYS A 52 9.623 1.478 8.734 1.00 0.00 C ATOM 772 O CYS A 52 10.570 1.702 9.488 1.00 0.00 O ATOM 773 CB CYS A 52 9.716 0.222 6.572 1.00 0.00 C ATOM 774 SG CYS A 52 8.050 -0.513 6.553 1.00 0.00 S ATOM 0 H CYS A 52 11.733 1.653 6.463 1.00 0.00 H new ATOM 0 HA CYS A 52 8.962 2.218 6.841 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.081 0.296 5.547 1.00 0.00 H new ATOM 0 HB3 CYS A 52 10.392 -0.449 7.103 1.00 0.00 H new ATOM 779 N TYR A 53 8.421 1.118 9.170 1.00 0.00 N ATOM 780 CA TYR A 53 8.139 0.962 10.592 1.00 0.00 C ATOM 781 C TYR A 53 8.179 -0.508 10.997 1.00 0.00 C ATOM 782 O TYR A 53 8.261 -0.835 12.182 1.00 0.00 O ATOM 783 CB TYR A 53 6.772 1.559 10.930 1.00 0.00 C ATOM 784 CG TYR A 53 6.244 1.136 12.282 1.00 0.00 C ATOM 785 CD1 TYR A 53 6.623 1.807 13.439 1.00 0.00 C ATOM 786 CD2 TYR A 53 5.368 0.064 12.404 1.00 0.00 C ATOM 787 CE1 TYR A 53 6.144 1.423 14.677 1.00 0.00 C ATOM 788 CE2 TYR A 53 4.883 -0.325 13.637 1.00 0.00 C ATOM 789 CZ TYR A 53 5.274 0.357 14.771 1.00 0.00 C ATOM 790 OH TYR A 53 4.794 -0.029 16.001 1.00 0.00 O ATOM 0 H TYR A 53 7.626 0.929 8.559 1.00 0.00 H new ATOM 0 HA TYR A 53 8.909 1.495 11.150 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.843 2.646 10.901 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.057 1.265 10.162 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.303 2.643 13.369 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.061 -0.474 11.519 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.449 1.955 15.566 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.201 -1.159 13.713 1.00 0.00 H new ATOM 0 HH TYR A 53 4.192 -0.795 15.892 1.00 0.00 H new ATOM 800 N ILE A 54 8.120 -1.391 10.006 1.00 0.00 N ATOM 801 CA ILE A 54 8.151 -2.826 10.258 1.00 0.00 C ATOM 802 C ILE A 54 9.493 -3.426 9.853 1.00 0.00 C ATOM 803 O ILE A 54 10.188 -4.030 10.672 1.00 0.00 O ATOM 804 CB ILE A 54 7.026 -3.555 9.500 1.00 0.00 C ATOM 805 CG1 ILE A 54 5.678 -3.302 10.177 1.00 0.00 C ATOM 806 CG2 ILE A 54 7.317 -5.047 9.427 1.00 0.00 C ATOM 807 CD1 ILE A 54 4.504 -3.887 9.424 1.00 0.00 C ATOM 0 H ILE A 54 8.050 -1.137 9.020 1.00 0.00 H new ATOM 0 HA ILE A 54 8.003 -2.962 11.329 1.00 0.00 H new ATOM 0 HB ILE A 54 6.980 -3.164 8.484 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.701 -3.723 11.182 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.531 -2.227 10.285 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.513 -5.549 8.888 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.260 -5.209 8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.387 -5.454 10.436 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.581 -3.669 9.962 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.455 -3.448 8.428 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.628 -4.967 9.339 1.00 0.00 H new ATOM 819 N CYS A 55 9.854 -3.255 8.586 1.00 0.00 N ATOM 820 CA CYS A 55 11.114 -3.778 8.071 1.00 0.00 C ATOM 821 C CYS A 55 12.200 -2.707 8.100 1.00 0.00 C ATOM 822 O CYS A 55 13.360 -2.976 7.787 1.00 0.00 O ATOM 823 CB CYS A 55 10.930 -4.296 6.643 1.00 0.00 C ATOM 824 SG CYS A 55 10.629 -2.988 5.411 1.00 0.00 S ATOM 0 H CYS A 55 9.291 -2.758 7.896 1.00 0.00 H new ATOM 0 HA CYS A 55 11.425 -4.603 8.712 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.820 -4.855 6.353 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.094 -4.995 6.626 1.00 0.00 H new ATOM 829 N ASP A 56 11.815 -1.493 8.477 1.00 0.00 N ATOM 830 CA ASP A 56 12.756 -0.380 8.548 1.00 0.00 C ATOM 831 C ASP A 56 13.645 -0.340 7.309 1.00 0.00 C ATOM 832 O ASP A 56 14.868 -0.265 7.414 1.00 0.00 O ATOM 833 CB ASP A 56 13.618 -0.493 9.806 1.00 0.00 C ATOM 834 CG ASP A 56 12.861 -0.110 11.063 1.00 0.00 C ATOM 835 OD1 ASP A 56 12.046 -0.928 11.537 1.00 0.00 O ATOM 836 OD2 ASP A 56 13.083 1.009 11.572 1.00 0.00 O ATOM 0 H ASP A 56 10.858 -1.254 8.738 1.00 0.00 H new ATOM 0 HA ASP A 56 12.183 0.546 8.592 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.983 -1.516 9.902 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.493 0.149 9.702 1.00 0.00 H new ATOM 841 N GLN A 57 13.020 -0.393 6.137 1.00 0.00 N ATOM 842 CA GLN A 57 13.755 -0.364 4.878 1.00 0.00 C ATOM 843 C GLN A 57 13.692 1.020 4.242 1.00 0.00 C ATOM 844 O GLN A 57 12.787 1.811 4.507 1.00 0.00 O ATOM 845 CB GLN A 57 13.195 -1.409 3.912 1.00 0.00 C ATOM 846 CG GLN A 57 13.625 -2.831 4.236 1.00 0.00 C ATOM 847 CD GLN A 57 13.155 -3.833 3.200 1.00 0.00 C ATOM 848 OE1 GLN A 57 12.540 -4.846 3.534 1.00 0.00 O ATOM 849 NE2 GLN A 57 13.444 -3.556 1.934 1.00 0.00 N ATOM 0 H GLN A 57 12.007 -0.456 6.033 1.00 0.00 H new ATOM 0 HA GLN A 57 14.798 -0.598 5.090 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.106 -1.356 3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.515 -1.164 2.899 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.712 -2.871 4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.231 -3.112 5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.956 -2.705 1.702 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.154 -4.195 1.193 1.00 0.00 H new ATOM 858 N PRO A 58 14.676 1.322 3.381 1.00 0.00 N ATOM 859 CA PRO A 58 14.754 2.612 2.689 1.00 0.00 C ATOM 860 C PRO A 58 13.656 2.776 1.643 1.00 0.00 C ATOM 861 O PRO A 58 13.835 2.421 0.478 1.00 0.00 O ATOM 862 CB PRO A 58 16.129 2.572 2.018 1.00 0.00 C ATOM 863 CG PRO A 58 16.424 1.122 1.846 1.00 0.00 C ATOM 864 CD PRO A 58 15.787 0.427 3.017 1.00 0.00 C ATOM 0 HA PRO A 58 14.622 3.450 3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.117 3.090 1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.885 3.059 2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.019 0.751 0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.499 0.943 1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.431 -0.568 2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.489 0.302 3.841 1.00 0.00 H new ATOM 872 N THR A 59 12.517 3.316 2.067 1.00 0.00 N ATOM 873 CA THR A 59 11.390 3.526 1.168 1.00 0.00 C ATOM 874 C THR A 59 11.722 4.567 0.104 1.00 0.00 C ATOM 875 O THR A 59 11.376 4.405 -1.066 1.00 0.00 O ATOM 876 CB THR A 59 10.134 3.978 1.937 1.00 0.00 C ATOM 877 OG1 THR A 59 10.379 5.234 2.580 1.00 0.00 O ATOM 878 CG2 THR A 59 9.733 2.941 2.975 1.00 0.00 C ATOM 0 H THR A 59 12.351 3.616 3.028 1.00 0.00 H new ATOM 0 HA THR A 59 11.188 2.569 0.687 1.00 0.00 H new ATOM 0 HB THR A 59 9.318 4.089 1.223 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.575 5.515 3.065 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.844 3.282 3.505 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.519 1.994 2.479 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.548 2.803 3.685 1.00 0.00 H new ATOM 886 N GLY A 60 12.395 5.636 0.518 1.00 0.00 N ATOM 887 CA GLY A 60 12.763 6.687 -0.413 1.00 0.00 C ATOM 888 C GLY A 60 11.592 7.580 -0.771 1.00 0.00 C ATOM 889 O GLY A 60 11.514 8.095 -1.886 1.00 0.00 O ATOM 0 H GLY A 60 12.692 5.793 1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.558 7.292 0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.165 6.239 -1.322 1.00 0.00 H new ATOM 893 N GLY A 61 10.676 7.762 0.175 1.00 0.00 N ATOM 894 CA GLY A 61 9.514 8.597 -0.067 1.00 0.00 C ATOM 895 C GLY A 61 8.593 8.016 -1.121 1.00 0.00 C ATOM 896 O GLY A 61 7.956 8.755 -1.873 1.00 0.00 O ATOM 0 H GLY A 61 10.718 7.346 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.961 8.724 0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.841 9.588 -0.381 1.00 0.00 H new ATOM 900 N ILE A 62 8.522 6.690 -1.177 1.00 0.00 N ATOM 901 CA ILE A 62 7.672 6.012 -2.148 1.00 0.00 C ATOM 902 C ILE A 62 6.436 5.422 -1.478 1.00 0.00 C ATOM 903 O ILE A 62 6.527 4.801 -0.418 1.00 0.00 O ATOM 904 CB ILE A 62 8.434 4.888 -2.875 1.00 0.00 C ATOM 905 CG1 ILE A 62 9.630 5.463 -3.635 1.00 0.00 C ATOM 906 CG2 ILE A 62 7.504 4.146 -3.823 1.00 0.00 C ATOM 907 CD1 ILE A 62 10.709 4.443 -3.926 1.00 0.00 C ATOM 0 H ILE A 62 9.042 6.065 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 62 7.365 6.762 -2.877 1.00 0.00 H new ATOM 0 HB ILE A 62 8.805 4.181 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.281 5.889 -4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.060 6.279 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.057 3.355 -4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.681 3.709 -3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.107 4.842 -4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.526 4.921 -4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 62 11.085 4.034 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.294 3.638 -4.533 1.00 0.00 H new ATOM 919 N PHE A 63 5.280 5.617 -2.103 1.00 0.00 N ATOM 920 CA PHE A 63 4.024 5.104 -1.568 1.00 0.00 C ATOM 921 C PHE A 63 2.977 4.970 -2.671 1.00 0.00 C ATOM 922 O PHE A 63 2.415 5.963 -3.131 1.00 0.00 O ATOM 923 CB PHE A 63 3.502 6.023 -0.462 1.00 0.00 C ATOM 924 CG PHE A 63 4.499 6.266 0.635 1.00 0.00 C ATOM 925 CD1 PHE A 63 4.814 5.262 1.537 1.00 0.00 C ATOM 926 CD2 PHE A 63 5.120 7.498 0.764 1.00 0.00 C ATOM 927 CE1 PHE A 63 5.730 5.484 2.548 1.00 0.00 C ATOM 928 CE2 PHE A 63 6.037 7.725 1.773 1.00 0.00 C ATOM 929 CZ PHE A 63 6.343 6.716 2.666 1.00 0.00 C ATOM 0 H PHE A 63 5.187 6.127 -2.981 1.00 0.00 H new ATOM 0 HA PHE A 63 4.214 4.116 -1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.215 6.979 -0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.600 5.586 -0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.339 4.296 1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.885 8.290 0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.966 4.694 3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.514 8.690 1.863 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.060 6.890 3.455 1.00 0.00 H new ATOM 939 N ASN A 64 2.722 3.735 -3.090 1.00 0.00 N ATOM 940 CA ASN A 64 1.744 3.471 -4.139 1.00 0.00 C ATOM 941 C ASN A 64 0.410 3.033 -3.541 1.00 0.00 C ATOM 942 O ASN A 64 0.354 2.360 -2.512 1.00 0.00 O ATOM 943 CB ASN A 64 2.266 2.395 -5.093 1.00 0.00 C ATOM 944 CG ASN A 64 3.739 2.570 -5.410 1.00 0.00 C ATOM 945 OD1 ASN A 64 4.127 3.500 -6.116 1.00 0.00 O ATOM 946 ND2 ASN A 64 4.567 1.672 -4.889 1.00 0.00 N ATOM 0 H ASN A 64 3.179 2.902 -2.719 1.00 0.00 H new ATOM 0 HA ASN A 64 1.587 4.395 -4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.107 1.412 -4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.692 2.424 -6.019 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.569 1.737 -5.069 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.201 0.917 -4.309 1.00 0.00 H new ATOM 953 N PRO A 65 -0.690 3.422 -4.202 1.00 0.00 N ATOM 954 CA PRO A 65 -2.044 3.079 -3.755 1.00 0.00 C ATOM 955 C PRO A 65 -2.351 1.595 -3.920 1.00 0.00 C ATOM 956 O PRO A 65 -2.447 1.092 -5.039 1.00 0.00 O ATOM 957 CB PRO A 65 -2.942 3.916 -4.671 1.00 0.00 C ATOM 958 CG PRO A 65 -2.127 4.141 -5.897 1.00 0.00 C ATOM 959 CD PRO A 65 -0.698 4.225 -5.436 1.00 0.00 C ATOM 0 HA PRO A 65 -2.186 3.282 -2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.869 3.392 -4.903 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.218 4.860 -4.200 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.260 3.326 -6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.428 5.058 -6.403 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.011 3.824 -6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.397 5.255 -5.247 1.00 0.00 H new ATOM 967 N ALA A 66 -2.503 0.899 -2.798 1.00 0.00 N ATOM 968 CA ALA A 66 -2.802 -0.528 -2.819 1.00 0.00 C ATOM 969 C ALA A 66 -4.306 -0.773 -2.852 1.00 0.00 C ATOM 970 O ALA A 66 -4.810 -1.698 -2.213 1.00 0.00 O ATOM 971 CB ALA A 66 -2.179 -1.215 -1.613 1.00 0.00 C ATOM 0 H ALA A 66 -2.424 1.300 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.372 -0.951 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.410 -2.280 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.098 -1.078 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.582 -0.780 -0.698 1.00 0.00 H new ATOM 977 N LYS A 67 -5.021 0.060 -3.601 1.00 0.00 N ATOM 978 CA LYS A 67 -6.469 -0.066 -3.719 1.00 0.00 C ATOM 979 C LYS A 67 -6.867 -1.508 -4.018 1.00 0.00 C ATOM 980 O LYS A 67 -7.665 -2.104 -3.296 1.00 0.00 O ATOM 981 CB LYS A 67 -6.994 0.858 -4.819 1.00 0.00 C ATOM 982 CG LYS A 67 -6.681 2.325 -4.582 1.00 0.00 C ATOM 983 CD LYS A 67 -7.378 3.216 -5.597 1.00 0.00 C ATOM 984 CE LYS A 67 -8.872 3.304 -5.327 1.00 0.00 C ATOM 985 NZ LYS A 67 -9.163 3.981 -4.033 1.00 0.00 N ATOM 0 H LYS A 67 -4.621 0.831 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.913 0.225 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.565 0.553 -5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.074 0.734 -4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.992 2.606 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.604 2.482 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.942 4.215 -5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.211 2.826 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.356 3.848 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.299 2.301 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.190 4.112 -3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.811 3.396 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.692 4.908 -4.013 1.00 0.00 H new ATOM 999 N GLU A 68 -6.304 -2.062 -5.088 1.00 0.00 N ATOM 1000 CA GLU A 68 -6.601 -3.435 -5.481 1.00 0.00 C ATOM 1001 C GLU A 68 -6.607 -4.360 -4.267 1.00 0.00 C ATOM 1002 O GLU A 68 -7.492 -5.204 -4.120 1.00 0.00 O ATOM 1003 CB GLU A 68 -5.577 -3.928 -6.506 1.00 0.00 C ATOM 1004 CG GLU A 68 -5.492 -5.442 -6.602 1.00 0.00 C ATOM 1005 CD GLU A 68 -5.056 -5.916 -7.975 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -5.553 -5.365 -8.979 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -4.218 -6.839 -8.044 1.00 0.00 O ATOM 0 H GLU A 68 -5.641 -1.582 -5.697 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.593 -3.450 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.833 -3.524 -7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.595 -3.533 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.790 -5.811 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.465 -5.873 -6.365 1.00 0.00 H new ATOM 1014 N LEU A 69 -5.614 -4.195 -3.400 1.00 0.00 N ATOM 1015 CA LEU A 69 -5.503 -5.014 -2.199 1.00 0.00 C ATOM 1016 C LEU A 69 -6.676 -4.761 -1.257 1.00 0.00 C ATOM 1017 O LEU A 69 -7.145 -5.672 -0.576 1.00 0.00 O ATOM 1018 CB LEU A 69 -4.184 -4.724 -1.479 1.00 0.00 C ATOM 1019 CG LEU A 69 -4.109 -5.159 -0.015 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -3.684 -6.615 0.088 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -3.150 -4.265 0.757 1.00 0.00 C ATOM 0 H LEU A 69 -4.874 -3.501 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.522 -6.061 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.379 -5.216 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.994 -3.652 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.101 -5.060 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.636 -6.907 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.408 -7.243 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.702 -6.741 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.109 -4.588 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.155 -4.332 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.498 -3.233 0.712 1.00 0.00 H new ATOM 1033 N MET A 70 -7.145 -3.518 -1.226 1.00 0.00 N ATOM 1034 CA MET A 70 -8.265 -3.146 -0.370 1.00 0.00 C ATOM 1035 C MET A 70 -9.566 -3.756 -0.881 1.00 0.00 C ATOM 1036 O MET A 70 -10.403 -4.204 -0.098 1.00 0.00 O ATOM 1037 CB MET A 70 -8.396 -1.623 -0.298 1.00 0.00 C ATOM 1038 CG MET A 70 -7.308 -0.958 0.529 1.00 0.00 C ATOM 1039 SD MET A 70 -5.762 -1.886 0.518 1.00 0.00 S ATOM 1040 CE MET A 70 -5.731 -2.512 2.196 1.00 0.00 C ATOM 0 H MET A 70 -6.767 -2.752 -1.783 1.00 0.00 H new ATOM 0 HA MET A 70 -8.070 -3.534 0.630 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.372 -1.216 -1.309 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.368 -1.370 0.125 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.127 0.046 0.145 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.654 -0.848 1.557 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.898 -2.062 2.737 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.667 -2.260 2.696 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.609 -3.595 2.178 1.00 0.00 H new ATOM 1050 N ALA A 71 -9.730 -3.769 -2.200 1.00 0.00 N ATOM 1051 CA ALA A 71 -10.928 -4.326 -2.816 1.00 0.00 C ATOM 1052 C ALA A 71 -11.302 -5.661 -2.181 1.00 0.00 C ATOM 1053 O ALA A 71 -12.465 -5.904 -1.859 1.00 0.00 O ATOM 1054 CB ALA A 71 -10.724 -4.490 -4.315 1.00 0.00 C ATOM 0 H ALA A 71 -9.048 -3.400 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.750 -3.631 -2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.627 -4.907 -4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.513 -3.518 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.886 -5.162 -4.497 1.00 0.00 H new ATOM 1060 N LYS A 72 -10.308 -6.525 -2.004 1.00 0.00 N ATOM 1061 CA LYS A 72 -10.531 -7.837 -1.407 1.00 0.00 C ATOM 1062 C LYS A 72 -11.075 -7.704 0.011 1.00 0.00 C ATOM 1063 O LYS A 72 -12.192 -8.134 0.302 1.00 0.00 O ATOM 1064 CB LYS A 72 -9.229 -8.641 -1.392 1.00 0.00 C ATOM 1065 CG LYS A 72 -9.013 -9.473 -2.645 1.00 0.00 C ATOM 1066 CD LYS A 72 -7.829 -10.413 -2.493 1.00 0.00 C ATOM 1067 CE LYS A 72 -8.239 -11.723 -1.838 1.00 0.00 C ATOM 1068 NZ LYS A 72 -9.241 -12.463 -2.655 1.00 0.00 N ATOM 0 H LYS A 72 -9.340 -6.340 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.269 -8.363 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.390 -7.956 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.229 -9.300 -0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.912 -10.051 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.848 -8.813 -3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.395 -10.615 -3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.055 -9.932 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.357 -12.347 -1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.654 -11.521 -0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.151 -13.483 -2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.199 -12.148 -2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.073 -12.275 -3.664 1.00 0.00 H new ATOM 1082 N LEU A 73 -10.281 -7.104 0.891 1.00 0.00 N ATOM 1083 CA LEU A 73 -10.683 -6.913 2.280 1.00 0.00 C ATOM 1084 C LEU A 73 -12.053 -6.245 2.363 1.00 0.00 C ATOM 1085 O LEU A 73 -12.986 -6.795 2.946 1.00 0.00 O ATOM 1086 CB LEU A 73 -9.646 -6.067 3.020 1.00 0.00 C ATOM 1087 CG LEU A 73 -8.216 -6.608 3.020 1.00 0.00 C ATOM 1088 CD1 LEU A 73 -7.242 -5.540 3.495 1.00 0.00 C ATOM 1089 CD2 LEU A 73 -8.115 -7.850 3.893 1.00 0.00 C ATOM 0 H LEU A 73 -9.354 -6.741 0.667 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.747 -7.893 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.636 -5.071 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.970 -5.953 4.054 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.952 -6.884 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.229 -5.943 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.294 -4.678 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.504 -5.233 4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.090 -8.221 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.398 -7.600 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.784 -8.620 3.509 1.00 0.00 H new ATOM 1101 N GLN A 74 -12.164 -5.060 1.773 1.00 0.00 N ATOM 1102 CA GLN A 74 -13.420 -4.319 1.779 1.00 0.00 C ATOM 1103 C GLN A 74 -13.579 -3.506 0.498 1.00 0.00 C ATOM 1104 O GLN A 74 -12.623 -3.321 -0.255 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.485 -3.394 2.995 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.544 -2.203 2.905 1.00 0.00 C ATOM 1107 CD GLN A 74 -11.090 -2.594 3.081 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -10.771 -3.528 3.817 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -10.198 -1.880 2.404 1.00 0.00 N ATOM 0 H GLN A 74 -11.400 -4.592 1.285 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.237 -5.039 1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.506 -3.031 3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.247 -3.968 3.891 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.671 -1.717 1.938 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.815 -1.472 3.667 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.506 -1.114 1.805 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.205 -2.098 2.483 1.00 0.00 H new ATOM 1118 N LYS A 75 -14.793 -3.024 0.256 1.00 0.00 N ATOM 1119 CA LYS A 75 -15.079 -2.230 -0.933 1.00 0.00 C ATOM 1120 C LYS A 75 -15.771 -0.923 -0.561 1.00 0.00 C ATOM 1121 O LYS A 75 -16.748 -0.524 -1.194 1.00 0.00 O ATOM 1122 CB LYS A 75 -15.955 -3.025 -1.903 1.00 0.00 C ATOM 1123 CG LYS A 75 -17.314 -3.395 -1.333 1.00 0.00 C ATOM 1124 CD LYS A 75 -17.273 -4.737 -0.622 1.00 0.00 C ATOM 1125 CE LYS A 75 -17.488 -5.889 -1.592 1.00 0.00 C ATOM 1126 NZ LYS A 75 -18.934 -6.178 -1.798 1.00 0.00 N ATOM 0 H LYS A 75 -15.596 -3.170 0.868 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.132 -1.994 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.099 -2.441 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.430 -3.936 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.640 -2.623 -0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -18.049 -3.430 -2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.312 -4.856 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -18.040 -4.764 0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.026 -5.649 -2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.990 -6.781 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.038 -6.969 -2.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.370 -6.432 -0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.405 -5.335 -2.184 1.00 0.00 H new ATOM 1140 N SER A 76 -15.256 -0.258 0.469 1.00 0.00 N ATOM 1141 CA SER A 76 -15.827 1.004 0.926 1.00 0.00 C ATOM 1142 C SER A 76 -15.024 2.187 0.395 1.00 0.00 C ATOM 1143 O SER A 76 -15.581 3.126 -0.171 1.00 0.00 O ATOM 1144 CB SER A 76 -15.866 1.045 2.455 1.00 0.00 C ATOM 1145 OG SER A 76 -16.733 2.068 2.915 1.00 0.00 O ATOM 0 H SER A 76 -14.445 -0.572 1.002 1.00 0.00 H new ATOM 0 HA SER A 76 -16.844 1.076 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 76 -16.199 0.081 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.862 1.213 2.843 1.00 0.00 H new ATOM 0 HG SER A 76 -16.742 2.073 3.895 1.00 0.00 H new ATOM 1151 N GLY A 77 -13.708 2.133 0.582 1.00 0.00 N ATOM 1152 CA GLY A 77 -12.848 3.206 0.116 1.00 0.00 C ATOM 1153 C GLY A 77 -13.315 3.792 -1.201 1.00 0.00 C ATOM 1154 O GLY A 77 -13.316 3.126 -2.237 1.00 0.00 O ATOM 0 H GLY A 77 -13.223 1.366 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.814 3.993 0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.831 2.830 0.003 1.00 0.00 H new ATOM 1158 N PRO A 78 -13.726 5.069 -1.173 1.00 0.00 N ATOM 1159 CA PRO A 78 -14.206 5.773 -2.365 1.00 0.00 C ATOM 1160 C PRO A 78 -13.087 6.053 -3.363 1.00 0.00 C ATOM 1161 O PRO A 78 -12.134 6.768 -3.056 1.00 0.00 O ATOM 1162 CB PRO A 78 -14.762 7.084 -1.804 1.00 0.00 C ATOM 1163 CG PRO A 78 -14.019 7.295 -0.529 1.00 0.00 C ATOM 1164 CD PRO A 78 -13.752 5.924 0.026 1.00 0.00 C ATOM 0 HA PRO A 78 -14.939 5.185 -2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.603 7.910 -2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -15.836 7.017 -1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.088 7.833 -0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.605 7.892 0.170 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.806 5.887 0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.530 5.614 0.723 1.00 0.00 H new ATOM 1172 N SER A 79 -13.211 5.485 -4.558 1.00 0.00 N ATOM 1173 CA SER A 79 -12.208 5.671 -5.601 1.00 0.00 C ATOM 1174 C SER A 79 -12.096 7.141 -5.991 1.00 0.00 C ATOM 1175 O SER A 79 -13.097 7.855 -6.057 1.00 0.00 O ATOM 1176 CB SER A 79 -12.558 4.830 -6.830 1.00 0.00 C ATOM 1177 OG SER A 79 -13.843 5.162 -7.325 1.00 0.00 O ATOM 0 H SER A 79 -13.996 4.892 -4.828 1.00 0.00 H new ATOM 0 HA SER A 79 -11.246 5.344 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.812 4.990 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.527 3.772 -6.571 1.00 0.00 H new ATOM 0 HG SER A 79 -14.043 4.612 -8.111 1.00 0.00 H new ATOM 1183 N SER A 80 -10.871 7.587 -6.248 1.00 0.00 N ATOM 1184 CA SER A 80 -10.626 8.974 -6.628 1.00 0.00 C ATOM 1185 C SER A 80 -9.379 9.086 -7.500 1.00 0.00 C ATOM 1186 O SER A 80 -8.290 8.674 -7.101 1.00 0.00 O ATOM 1187 CB SER A 80 -10.471 9.846 -5.381 1.00 0.00 C ATOM 1188 OG SER A 80 -11.725 10.347 -4.950 1.00 0.00 O ATOM 0 H SER A 80 -10.032 7.008 -6.200 1.00 0.00 H new ATOM 0 HA SER A 80 -11.483 9.325 -7.203 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.014 9.264 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.798 10.676 -5.595 1.00 0.00 H new ATOM 0 HG SER A 80 -12.429 9.702 -5.172 1.00 0.00 H new ATOM 1194 N GLY A 81 -9.547 9.647 -8.693 1.00 0.00 N ATOM 1195 CA GLY A 81 -8.427 9.804 -9.603 1.00 0.00 C ATOM 1196 C GLY A 81 -8.699 9.199 -10.966 1.00 0.00 C ATOM 1197 O GLY A 81 -7.928 9.441 -11.894 1.00 0.00 O ATOM 0 H GLY A 81 -10.438 9.996 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.202 10.864 -9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.543 9.335 -9.171 1.00 0.00 H new TER 1201 GLY A 81 HETATM 1202 ZN ZN A 201 -2.053 3.430 10.733 1.00 0.00 ZN HETATM 1203 ZN ZN A 401 8.350 -2.411 5.244 1.00 0.00 ZN